N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide

C16H12FN5O3S — CID 22202059

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc2nonc12
InChIInChI=1S/C16H12FN5O3S/c17-12-6-4-11(5-7-12)9-22-10-13(8-18-22)21-26(23,24)15-3-1-2-14-16(15)20-25-19-14/h1-8,10,21H,9H2
InChIKeyZTBCQWLPDBMFQC-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.41
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 22202059) has the molecular formula C16H12FN5O3S and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID22202059
Molecular FormulaC16H12FN5O3S
Molecular Weight373.37 g/mol
Exact Mass373.06
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc2nonc12
InChIInChI=1S/C16H12FN5O3S/c17-12-6-4-11(5-7-12)9-22-10-13(8-18-22)21-26(23,24)15-3-1-2-14-16(15)20-25-19-14/h1-8,10,21H,9H2
InChIKeyZTBCQWLPDBMFQC-UHFFFAOYSA-N
XLogP2.41
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 22202059) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc2nonc12.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is ZTBCQWLPDBMFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O3S/c17-12-6-4-11(5-7-12)9-22-10-13(8-18-22)21-26(23,24)15-3-1-2-14-16(15)20-25-19-14/h1-8,10,21H,9H2.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 373.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 22202059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).